Geometry & MOs

Info

ID:	262511
PubChem CID:	103297667
Reduced:	FN2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	-116.0
Dipole, Da:	7.05
IP(EA), eV:	-9.99(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylpropyl 5-amino-2-fluoro-3-methylbenzoate

Drug info:

PubChemData

Smile

CCC1(CN(C1)C(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])C)F)O

DOS

IR

Vibrations